3,3,4,4,5,5-hexafluoro-5-iodopent-1-ene

C5H3F6I — CID 118452981

IUPAC3,3,4,4,5,5-hexafluoro-5-iodopent-1-ene
SMILESC=CC(F)(F)C(F)(F)C(F)(F)I
InChIInChI=1S/C5H3F6I/c1-2-3(6,7)4(8,9)5(10,11)12/h2H,1H2
InChIKeyPHHATTKTNVYZJD-UHFFFAOYSA-N
MW303.97 g/mol
LogP3.47
Rot. Bonds3

About 3,3,4,4,5,5-hexafluoro-5-iodopent-1-ene

3,3,4,4,5,5-hexafluoro-5-iodopent-1-ene (PubChem CID 118452981) has the molecular formula C5H3F6I and a molecular weight of 303.97 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-5-iodopent-1-ene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-5-iodopent-1-ene
PubChem CID118452981
Molecular FormulaC5H3F6I
Molecular Weight303.97 g/mol
Exact Mass303.92
IUPAC Name3,3,4,4,5,5-hexafluoro-5-iodopent-1-ene
SMILESC=CC(F)(F)C(F)(F)C(F)(F)I
InChIInChI=1S/C5H3F6I/c1-2-3(6,7)4(8,9)5(10,11)12/h2H,1H2
InChIKeyPHHATTKTNVYZJD-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.97
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3,3,4,4,5,5,6,6-Octafluoro-6-iodohex-1-ene
CID 15828065
3,3,4,4,5,5,5-Heptafluoropent-1-ene
CID 67727
3,3,4,4-Tetrafluoro-4-iodo-1-butene
CID 118555
(1E)-3,3,4,4,5,5,5-Heptafluoro-1-iodopent-1-ene
CID 5375711
(1E)-3,4,4,4-Tetrafluoro-1-iodo-3-(trifluoromethyl)but-1-ene
CID 5378967
3,3,4,4,5,5,5-Heptafluoro-1-iodo-1-pentene
CID 609138
3,4,4,4-Tetrafluoro-1-iodo-3-(trifluoromethyl)but-1-ene
CID 629495
3,3,4,4,4-Pentafluoro-1-iodo-1-butene
CID 2782555
3,3,4,4-Tetrafluoro-6-iodohex-1-ene
CID 555867
3,4,4,5,5,5-Hexafluoro-3-trifluoromethyl-1-iodo-1-pentene
CID 5379545
5,5,6,6-Tetrafluoro-3-iodohex-1-ene
CID 53439037
3,3,4,4,4-Pentafluoro-1-iodobut-1-ene
CID 5709617

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-5-iodopent-1-ene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-5-iodopent-1-ene (CID 118452981) is 3,3,4,4,5,5-hexafluoro-5-iodopent-1-ene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-5-iodopent-1-ene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-5-iodopent-1-ene is C=CC(F)(F)C(F)(F)C(F)(F)I.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-5-iodopent-1-ene?
The InChIKey is PHHATTKTNVYZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F6I/c1-2-3(6,7)4(8,9)5(10,11)12/h2H,1H2.
What are the key properties of 3,3,4,4,5,5-hexafluoro-5-iodopent-1-ene?
3,3,4,4,5,5-hexafluoro-5-iodopent-1-ene has a molecular weight of 303.97 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluoro-5-iodopent-1-ene is sourced from PubChem (CID 118452981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).